2-[2-amino-4,6-di(propan-2-yl)phenyl]ethanol

C14H23NO — CID 146198081

IUPAC2-[2-amino-4,6-di(propan-2-yl)phenyl]ethanol
SMILESCC(C)c1cc(N)c(CCO)c(C(C)C)c1
InChIInChI=1S/C14H23NO/c1-9(2)11-7-13(10(3)4)12(5-6-16)14(15)8-11/h7-10,16H,5-6,15H2,1-4H3
InChIKeyPLFAVBIXZBOFIZ-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.05
Rot. Bonds4

About 2-[2-amino-4,6-di(propan-2-yl)phenyl]ethanol

2-[2-amino-4,6-di(propan-2-yl)phenyl]ethanol (PubChem CID 146198081) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-[2-amino-4,6-di(propan-2-yl)phenyl]ethanol.

Molecular Properties

Compound Name2-[2-amino-4,6-di(propan-2-yl)phenyl]ethanol
PubChem CID146198081
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-[2-amino-4,6-di(propan-2-yl)phenyl]ethanol
SMILESCC(C)c1cc(N)c(CCO)c(C(C)C)c1
InChIInChI=1S/C14H23NO/c1-9(2)11-7-13(10(3)4)12(5-6-16)14(15)8-11/h7-10,16H,5-6,15H2,1-4H3
InChIKeyPLFAVBIXZBOFIZ-UHFFFAOYSA-N
XLogP3.05
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

CID 101233862
CID 101233862
2-(chloromethyl)-1,3,5-tri(propan-2-yl)benzene;ethane
CID 143865267
2-(2-methylprop-2-enyl)-1,3,5-tri(propan-2-yl)benzene
CID 146002714
2-[amino(methyl)amino]-3,5-di(propan-2-yl)aniline
CID 155249617
2-[4-amino-3,5-di(propan-2-yl)phenyl]propane-1,3-diol
CID 151143886
2-(2-hydroxyethyl)-3,6-di(propan-2-yl)phenol
CID 117318714
1-(2-amino-5-propan-2-ylphenyl)butane-1,2,4-triol
CID 171872717
3-amino-3-(3-fluoro-5-propan-2-ylphenyl)propan-1-ol
CID 84781818
azane;2,4,6-tri(propan-2-yl)phenol
CID 174814858
3-amino-2-(2-methylsulfanylethyl)-5-propan-2-ylbenzoic acid
CID 100942381
3-hydroxypropyl 2,4,6-tri(propan-2-yl)benzoate
CID 165416683
2-[2-(diethylamino)ethyl]-3,5-di(propan-2-yl)phenol
CID 90460717

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-4,6-di(propan-2-yl)phenyl]ethanol?
The IUPAC name of 2-[2-amino-4,6-di(propan-2-yl)phenyl]ethanol (CID 146198081) is 2-[2-amino-4,6-di(propan-2-yl)phenyl]ethanol.
What is the SMILES notation for 2-[2-amino-4,6-di(propan-2-yl)phenyl]ethanol?
The canonical SMILES for 2-[2-amino-4,6-di(propan-2-yl)phenyl]ethanol is CC(C)c1cc(N)c(CCO)c(C(C)C)c1.
What is the InChIKey of 2-[2-amino-4,6-di(propan-2-yl)phenyl]ethanol?
The InChIKey is PLFAVBIXZBOFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-9(2)11-7-13(10(3)4)12(5-6-16)14(15)8-11/h7-10,16H,5-6,15H2,1-4H3.
What are the key properties of 2-[2-amino-4,6-di(propan-2-yl)phenyl]ethanol?
2-[2-amino-4,6-di(propan-2-yl)phenyl]ethanol has a molecular weight of 221.34 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-4,6-di(propan-2-yl)phenyl]ethanol is sourced from PubChem (CID 146198081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).